Information card for entry 1519165

Structure parameters

• Formula: C26 H38 Cd I4 N6 O4
• Calculated formula: C26 H38 Cd I4 N6 O4
• SMILES: [Cd](I)(I)([I-])[I-].O=N1=C([N](=O)C(C1(C)C)(C)C)c1cc[n+](C)cc1.O=N1=C([N](=O)C(C1(C)C)(C)C)c1cc[n+](C)cc1
• Title of publication: C26H38CdI4N6O4
• Authors of publication: Kurmoo, Mohamed; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1996
• Pages of publication: 759
• a: 16.249 ± 0.005 Å
• b: 10.8064 ± 0.001 Å
• c: 21.254 ± 0.005 Å
• α: 90°
• β: 105.93 ± 0.02°
• γ: 90°
• Cell volume: 3588.7 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.0644
• Goodness-of-fit parameter for all reflections: 0.541
• Goodness-of-fit parameter for significantly intense reflections: 0.705
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No